2-propan-2-yloxy-5-[2-(trifluoromethoxy)phenyl]aniline

C16H16F3NO2 — CID 164512500

IUPAC2-propan-2-yloxy-5-[2-(trifluoromethoxy)phenyl]aniline
SMILESCC(C)Oc1ccc(-c2ccccc2OC(F)(F)F)cc1N
InChIInChI=1S/C16H16F3NO2/c1-10(2)21-15-8-7-11(9-13(15)20)12-5-3-4-6-14(12)22-16(17,18)19/h3-10H,20H2,1-2H3
InChIKeySXYXQFJUFWYWPU-UHFFFAOYSA-N
MW311.30 g/mol
LogP4.62
Rot. Bonds4

About 2-propan-2-yloxy-5-[2-(trifluoromethoxy)phenyl]aniline

2-propan-2-yloxy-5-[2-(trifluoromethoxy)phenyl]aniline (PubChem CID 164512500) has the molecular formula C16H16F3NO2 and a molecular weight of 311.30 g/mol. Its IUPAC name is 2-propan-2-yloxy-5-[2-(trifluoromethoxy)phenyl]aniline.

Molecular Properties

Compound Name2-propan-2-yloxy-5-[2-(trifluoromethoxy)phenyl]aniline
PubChem CID164512500
Molecular FormulaC16H16F3NO2
Molecular Weight311.30 g/mol
Exact Mass311.11
IUPAC Name2-propan-2-yloxy-5-[2-(trifluoromethoxy)phenyl]aniline
SMILESCC(C)Oc1ccc(-c2ccccc2OC(F)(F)F)cc1N
InChIInChI=1S/C16H16F3NO2/c1-10(2)21-15-8-7-11(9-13(15)20)12-5-3-4-6-14(12)22-16(17,18)19/h3-10H,20H2,1-2H3
InChIKeySXYXQFJUFWYWPU-UHFFFAOYSA-N
XLogP4.62
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.30
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-(2-methoxyphenyl)-2-propan-2-yloxyaniline
CID 164512499
4-[2-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)aniline
CID 118805901
2-(trifluoromethoxy)-5-[2-(trifluoromethyl)phenyl]aniline
CID 134624128
2-fluoro-1-(trifluoromethoxy)-4-[2-(trifluoromethoxy)phenyl]benzene
CID 118811736
4-[2-(trifluoromethoxy)phenyl]aniline
CID 16768545
1-methyl-3-[2-(trifluoromethoxy)phenyl]benzene
CID 69482191
1-chloro-2-methyl-4-[2-(trifluoromethoxy)phenyl]benzene
CID 134627988
2-(difluoromethoxy)-5-(2-methylphenyl)aniline
CID 82087082
1-(2-methylpropyl)-4-[2-(trifluoromethoxy)phenyl]benzene
CID 118833201
[2-methyl-5-[2-(trifluoromethoxy)phenyl]phenyl]methanamine
CID 155804267
1-(difluoromethoxy)-4-[2-(trifluoromethoxy)phenyl]benzene
CID 118812996
1-(trifluoromethoxy)-2-[2-(trifluoromethoxy)phenyl]benzene
CID 18785200

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yloxy-5-[2-(trifluoromethoxy)phenyl]aniline?
The IUPAC name of 2-propan-2-yloxy-5-[2-(trifluoromethoxy)phenyl]aniline (CID 164512500) is 2-propan-2-yloxy-5-[2-(trifluoromethoxy)phenyl]aniline.
What is the SMILES notation for 2-propan-2-yloxy-5-[2-(trifluoromethoxy)phenyl]aniline?
The canonical SMILES for 2-propan-2-yloxy-5-[2-(trifluoromethoxy)phenyl]aniline is CC(C)Oc1ccc(-c2ccccc2OC(F)(F)F)cc1N.
What is the InChIKey of 2-propan-2-yloxy-5-[2-(trifluoromethoxy)phenyl]aniline?
The InChIKey is SXYXQFJUFWYWPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3NO2/c1-10(2)21-15-8-7-11(9-13(15)20)12-5-3-4-6-14(12)22-16(17,18)19/h3-10H,20H2,1-2H3.
What are the key properties of 2-propan-2-yloxy-5-[2-(trifluoromethoxy)phenyl]aniline?
2-propan-2-yloxy-5-[2-(trifluoromethoxy)phenyl]aniline has a molecular weight of 311.30 g/mol, XLogP of 4.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yloxy-5-[2-(trifluoromethoxy)phenyl]aniline is sourced from PubChem (CID 164512500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).